(6S,7S,8S)-2-(2-piperidin-2-ylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol

C14H23N3O3 — CID 11652076

IUPAC(6S,7S,8S)-2-(2-piperidin-2-ylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
SMILESO[C@H]1[C@@H](O)Cn2cc(CCC3CCCCN3)nc2[C@@H]1O
InChIInChI=1S/C14H23N3O3/c18-11-8-17-7-10(16-14(17)13(20)12(11)19)5-4-9-3-1-2-6-15-9/h7,9,11-13,15,18-20H,1-6,8H2/t9?,11-,12-,13+/m0/s1
InChIKeySMVHMDAWTUXWIB-OUCPAXKCSA-N
MW281.36 g/mol
LogP-0.27
Rot. Bonds3

About (6S,7S,8S)-2-(2-piperidin-2-ylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol

(6S,7S,8S)-2-(2-piperidin-2-ylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol (PubChem CID 11652076) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is (6S,7S,8S)-2-(2-piperidin-2-ylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol.

Molecular Properties

Compound Name(6S,7S,8S)-2-(2-piperidin-2-ylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
PubChem CID11652076
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name(6S,7S,8S)-2-(2-piperidin-2-ylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
SMILESO[C@H]1[C@@H](O)Cn2cc(CCC3CCCCN3)nc2[C@@H]1O
InChIInChI=1S/C14H23N3O3/c18-11-8-17-7-10(16-14(17)13(20)12(11)19)5-4-9-3-1-2-6-15-9/h7,9,11-13,15,18-20H,1-6,8H2/t9?,11-,12-,13+/m0/s1
InChIKeySMVHMDAWTUXWIB-OUCPAXKCSA-N
XLogP-0.27
TPSA90.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(5R,6R,7S,8S)-2-(3,3-dimethylbutyl)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 11380575
2-(3,3-Dimethylbutyl)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 67206574
(5R,6R,7S,8S)-5-Hydroxymethyl-2-n-octyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 11472439
5-(Hydroxymethyl)-2-octyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 72974915
1-[6-(2-Pyrrolidin-2-ylethyl)pyrazin-2-yl]piperidin-4-ol
CID 110271363
2-fluoro-N-({5H,6H,7H,8H-imidazo[1,5-a]pyridin-3-yl}methyl)oxan-3-amine
CID 126857108
(6S,7S,8S)-3-(2-cyclohexylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 11521990
(6S,7S,8S)-3-(2-piperidin-2-ylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 11630549
(6S,7S,8S)-2-(2-cyclohexylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 11680727
N-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]propanamide
CID 59272883
(7S)-2-(3,3-dimethylbutyl)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 67206576
(5S)-2-(3,3-dimethylbutyl)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 67206577

Frequently Asked Questions

What is the IUPAC name of (6S,7S,8S)-2-(2-piperidin-2-ylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
The IUPAC name of (6S,7S,8S)-2-(2-piperidin-2-ylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol (CID 11652076) is (6S,7S,8S)-2-(2-piperidin-2-ylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol.
What is the SMILES notation for (6S,7S,8S)-2-(2-piperidin-2-ylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
The canonical SMILES for (6S,7S,8S)-2-(2-piperidin-2-ylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol is O[C@H]1[C@@H](O)Cn2cc(CCC3CCCCN3)nc2[C@@H]1O.
What is the InChIKey of (6S,7S,8S)-2-(2-piperidin-2-ylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
The InChIKey is SMVHMDAWTUXWIB-OUCPAXKCSA-N. The full InChI is InChI=1S/C14H23N3O3/c18-11-8-17-7-10(16-14(17)13(20)12(11)19)5-4-9-3-1-2-6-15-9/h7,9,11-13,15,18-20H,1-6,8H2/t9?,11-,12-,13+/m0/s1.
What are the key properties of (6S,7S,8S)-2-(2-piperidin-2-ylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol?
(6S,7S,8S)-2-(2-piperidin-2-ylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol has a molecular weight of 281.36 g/mol, XLogP of -0.27, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S,8S)-2-(2-piperidin-2-ylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol is sourced from PubChem (CID 11652076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).